[(6,13-diethynyl-5,7,12,14-tetrahydro-5,14[1',2']:7,12[1'',2'']dibenzopentacene(-2H))(Pt(tri-n-butylphosphine)2(phenylacetylene(-1H)))2] | 851192-60-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [(6,13-diethynyl-5,7,12,14-tetrahydro-5,14[1',2']:7,12[1'',2'']dibenzopentacene(-2H))(Pt(tri-n-butylphosphine)2(phenylacetylene(-1H)))2]
• CAS: 851192-60-4
• 化学式: C₁₀₂H₁₃₈P₄Pt₂
• 分子量: 1878.27
• InChiKey: WBMXEWBDMQTFCK-NFLVNSICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  [(6,13-diethynyl-5,7,12,14-tetrahydro-5,14[1',2']:7,12[1'',2'']dibenzopentacene(-2H))(Pt(tri-n-butylphosphine)2Cl)2] 、 苯乙炔 在 piperidine 、 CuI 作用下， 以 further solvent(s) 为溶剂， 生成 [(6,13-diethynyl-5,7,12,14-tetrahydro-5,14[1',2']:7,12[1'',2'']dibenzopentacene(-2H))(Pt(tri-n-butylphosphine)2(phenylacetylene(-1H)))2]
  参考文献：
  名称：

  A Platinum Acetylide Polymer with Sterically Demanding Substituents:  Effect of Aggregation on the Triplet Excited State

  摘要：

  The effect of interchain interaction on the triplet excited state is explored in two Pt-acetylide polymers of the type [-trans-Pt(PBu3)(2)-C C-Ar-C C-](n) where Ar is either 1,4-phenylene or is based on the pentiptycene unit (polymers 2 and 3, respectively). To explore the effect of interchain interaction in Pt-acetylide materials, the optical properties of parent polymer 2 are compared with those of polymer 3 in which interchain interaction is precluded by the sterically bulky pentiptycene moiety. Insight into the effect of the pentiptycene unit on packing in the solid state comes from the X-ray structure of monomer 1b, Ph-C=C-[trans-Pt(PBu3)(2)]-C C-Ar-C C-[trans-Pt(PBu3)(2)]-C C-Ph. Spectroscopic studies indicate that weak phosphorescence emission from an interchain aggregate is observed from parent polymer 2, both in solution and in the solid state. By contrast, the photophysics of 3 is dominated by the intrachain triplet exciton. Interestingly, the phosphorescence emission of polymer 3 in the solid state is nearly superimposable with that of a single crystal of monomer 1b, suggesting that the solid polymer experiences an environment that is similar to that of the monomer in the crystal.

  DOI：

  10.1021/ic048961s